=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 1 rings
        ring        int.           center             anis.    iso.
       TYR  1     0.840    13.905  -2.940  13.221  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
3ibcF1 TYR 802 HA     0.00  -0.05   0.19  -0.75   4.56     3.94
3ibcF1 TYR 802 HB2    0.00  -0.02  -0.05  -0.04   3.06     2.95
3ibcF1 TYR 802 HB3    0.00  -0.02   0.01  -0.04   2.98     2.92
3ibcF1 TYR 802 HD2    0.00  -0.00   0.02  -0.04   7.15     7.13
3ibcF1 TYR 802 HE2    0.00  -0.00   0.01  -0.04   6.85     6.82
3ibcF1 VAL 803 H      0.13   0.21   0.11  -0.55   8.24     8.15
3ibcF1 VAL 803 HA     0.05   0.12   0.74  -0.75   4.13     4.29
3ibcF1 VAL 803 HB     0.03  -0.04  -0.03  -0.04   2.12     2.04
3ibcF1 VAL 803 HG13   0.02   0.05   0.01  -0.04   0.97     1.01
3ibcF1 VAL 803 HG23   0.01   0.01  -0.26  -0.04   0.95     0.67
3ibcF1 ALA 804 H      0.03   0.13   0.12  -0.55   8.40     8.14
3ibcF1 ALA 804 HA     0.02   0.06   0.57  -0.75   4.34     4.24
3ibcF1 ALA 804 HB3    0.01   0.01   0.07  -0.04   1.41     1.46
3ibcF1 ASP 805 H      0.01   0.08   0.08  -0.55   8.40     8.02
3ibcF1 ASP 805 HA     0.01   0.26   0.71  -0.75   4.63     4.85
3ibcF1 ASP 805 HB2    0.01   0.02   0.03  -0.04   2.71     2.73
3ibcF1 ASP 805 HB3    0.01   0.00   0.07  -0.04   2.70     2.74